(3-methyl-5-phenyl-4-phenylsulfanyl-pyrazol-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

Systemtic Name: (3-methyl-5-phenyl-4-phenylsulfanyl-pyrazol-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone Openeye Name: (3-methyl-5-phenyl-4-phenylsulfanyl-pyrazol-1-yl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone CAS Name: [3-methyl-5-phenyl-4-(phenylthio)-1-pyrazolyl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone IUPAC Name: (3-methyl-5-phenyl-4-phenylsulfanylpyrazol-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone Traditional Name: [3-methyl-5-phenyl-4-(phenylthio)pyrazol-1-yl]-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone Formula: C25H22N2OS2 MolecularWeight: 430.58498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=C(S4)CCCC5

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=C(S4)CCCC5

InChI

InChI=1S/C25H22N2OS2/c1-17-24(29-20-13-6-3-7-14-20)23(18-10-4-2-5-11-18)27(26-17)25(28)22-16-19-12-8-9-15-21(19)30-22/h2-7,10-11,13-14,16H,8-9,12,15H2,1H3